3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate

C11H13N3O2 — CID 12773582

IUPAC3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate
SMILESCC(=O)OCCCc1cnc2ccnn2c1
InChIInChI=1S/C11H13N3O2/c1-9(15)16-6-2-3-10-7-12-11-4-5-13-14(11)8-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyPAAISYTYPANBKN-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.23
Rot. Bonds4

About 3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate

3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate (PubChem CID 12773582) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate.

Molecular Properties

Compound Name3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate
PubChem CID12773582
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate
SMILESCC(=O)OCCCc1cnc2ccnn2c1
InChIInChI=1S/C11H13N3O2/c1-9(15)16-6-2-3-10-7-12-11-4-5-13-14(11)8-10/h4-5,7-8H,2-3,6H2,1H3
InChIKeyPAAISYTYPANBKN-UHFFFAOYSA-N
XLogP1.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate?
The IUPAC name of 3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate (CID 12773582) is 3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate.
What is the SMILES notation for 3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate?
The canonical SMILES for 3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate is CC(=O)OCCCc1cnc2ccnn2c1.
What is the InChIKey of 3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate?
The InChIKey is PAAISYTYPANBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-9(15)16-6-2-3-10-7-12-11-4-5-13-14(11)8-10/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate?
3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate has a molecular weight of 219.24 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazolo[1,5-a]pyrimidin-6-ylpropyl acetate is sourced from PubChem (CID 12773582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).